USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= 1.15 K(o=2.4,f=-4.1) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -170:sc= 1.21 (180deg=-0.0306) USER MOD Single : A 1 TYR N :NH3+ -122:sc= 1.07 (180deg=-0.244) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 0.856 (180deg=0.838) USER MOD Single : A 17 SER OG : rot 180:sc= 0.136 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 27:sc= 1.08 USER MOD Single : A 43 HIS : no HD1:sc= 0.752 K(o=0.75,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -163:sc= 0.0475 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0631 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -52:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.07 K(o=1.1,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -0.737 10.600 0.997 1.00 0.00 N ATOM 2 CA TYR A 1 -0.251 9.980 2.262 1.00 0.00 C ATOM 3 C TYR A 1 -1.179 8.825 2.769 1.00 0.00 C ATOM 4 O TYR A 1 -0.713 7.690 2.902 1.00 0.00 O ATOM 5 CB TYR A 1 0.012 11.104 3.308 1.00 0.00 C ATOM 6 CG TYR A 1 0.768 10.620 4.563 1.00 0.00 C ATOM 7 CD1 TYR A 1 2.161 10.499 4.544 1.00 0.00 C ATOM 8 CD2 TYR A 1 0.069 10.308 5.734 1.00 0.00 C ATOM 9 CE1 TYR A 1 2.843 10.065 5.680 1.00 0.00 C ATOM 10 CE2 TYR A 1 0.754 9.876 6.867 1.00 0.00 C ATOM 11 CZ TYR A 1 2.139 9.757 6.841 1.00 0.00 C ATOM 12 OH TYR A 1 2.804 9.346 7.965 1.00 0.00 O ATOM 0 H1 TYR A 1 -0.001 10.520 0.266 1.00 0.00 H new ATOM 0 H2 TYR A 1 -1.597 10.110 0.678 1.00 0.00 H new ATOM 0 H3 TYR A 1 -0.952 11.604 1.163 1.00 0.00 H new ATOM 0 HA TYR A 1 0.697 9.474 2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.585 11.901 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -0.942 11.535 3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 1 2.710 10.742 3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.007 10.403 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 1 3.918 9.968 5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 1 0.209 9.633 7.767 1.00 0.00 H new ATOM 0 HH TYR A 1 2.159 9.175 8.682 1.00 0.00 H new ATOM 13 N ASN A 2 -2.468 9.103 3.062 1.00 0.00 N ATOM 14 CA ASN A 2 -3.317 8.148 3.842 1.00 0.00 C ATOM 15 C ASN A 2 -3.964 7.025 2.939 1.00 0.00 C ATOM 16 O ASN A 2 -5.186 6.941 2.784 1.00 0.00 O ATOM 17 CB ASN A 2 -4.372 8.977 4.655 1.00 0.00 C ATOM 18 CG ASN A 2 -3.802 10.094 5.560 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.350 11.130 5.081 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.797 9.926 6.862 1.00 0.00 N ATOM 0 H ASN A 2 -2.945 9.960 2.781 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.690 7.594 4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.071 9.428 3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.945 8.289 5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.419 10.654 7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.171 9.068 7.267 1.00 0.00 H new ATOM 21 N ARG A 3 -3.110 6.134 2.382 1.00 0.00 N ATOM 22 CA ARG A 3 -3.576 4.851 1.773 1.00 0.00 C ATOM 23 C ARG A 3 -2.519 3.719 2.070 1.00 0.00 C ATOM 24 O ARG A 3 -2.215 3.478 3.244 1.00 0.00 O ATOM 25 CB ARG A 3 -4.117 5.044 0.308 1.00 0.00 C ATOM 26 CG ARG A 3 -3.131 5.522 -0.796 1.00 0.00 C ATOM 27 CD ARG A 3 -3.854 5.801 -2.133 1.00 0.00 C ATOM 28 NE ARG A 3 -2.868 6.245 -3.165 1.00 0.00 N ATOM 29 CZ ARG A 3 -3.209 6.722 -4.373 1.00 0.00 C ATOM 30 NH1 ARG A 3 -4.456 6.871 -4.761 1.00 0.00 N ATOM 31 NH2 ARG A 3 -2.263 7.054 -5.204 1.00 0.00 N ATOM 0 H ARG A 3 -2.100 6.272 2.338 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.482 4.477 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.540 4.093 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.938 5.760 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.623 6.427 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.363 4.764 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.368 4.902 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.615 6.569 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.876 6.182 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.219 6.619 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.661 7.238 -5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.285 6.950 -4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.500 7.418 -6.127 1.00 0.00 H new ATOM 32 N LEU A 4 -1.968 3.000 1.068 1.00 0.00 N ATOM 33 CA LEU A 4 -1.192 1.737 1.341 1.00 0.00 C ATOM 34 C LEU A 4 0.334 1.961 1.700 1.00 0.00 C ATOM 35 O LEU A 4 1.228 1.338 1.121 1.00 0.00 O ATOM 36 CB LEU A 4 -1.381 0.780 0.114 1.00 0.00 C ATOM 37 CG LEU A 4 -2.843 0.403 -0.284 1.00 0.00 C ATOM 38 CD1 LEU A 4 -2.838 -0.518 -1.515 1.00 0.00 C ATOM 39 CD2 LEU A 4 -3.621 -0.283 0.855 1.00 0.00 C ATOM 0 H LEU A 4 -2.034 3.251 0.082 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.595 1.284 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.905 1.243 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.839 -0.143 0.320 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.351 1.341 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.863 -0.774 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.362 -0.005 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.285 -1.429 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.629 -0.520 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.110 -1.202 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.675 0.386 1.714 1.00 0.00 H new ATOM 40 N CYS A 5 0.619 2.844 2.680 1.00 0.00 N ATOM 41 CA CYS A 5 2.022 3.237 3.032 1.00 0.00 C ATOM 42 C CYS A 5 2.734 2.410 4.165 1.00 0.00 C ATOM 43 O CYS A 5 3.966 2.440 4.246 1.00 0.00 O ATOM 44 CB CYS A 5 1.978 4.731 3.430 1.00 0.00 C ATOM 45 SG CYS A 5 1.566 5.760 2.010 1.00 0.00 S ATOM 0 H CYS A 5 -0.094 3.304 3.247 1.00 0.00 H new ATOM 0 HA CYS A 5 2.629 3.026 2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.241 4.880 4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.944 5.033 3.835 1.00 0.00 H new ATOM 46 N ILE A 6 1.980 1.716 5.039 1.00 0.00 N ATOM 47 CA ILE A 6 2.561 0.945 6.188 1.00 0.00 C ATOM 48 C ILE A 6 2.431 -0.591 5.872 1.00 0.00 C ATOM 49 O ILE A 6 1.482 -1.039 5.217 1.00 0.00 O ATOM 50 CB ILE A 6 1.826 1.367 7.528 1.00 0.00 C ATOM 51 CG1 ILE A 6 1.986 2.891 7.848 1.00 0.00 C ATOM 52 CG2 ILE A 6 2.311 0.553 8.764 1.00 0.00 C ATOM 53 CD1 ILE A 6 0.976 3.429 8.881 1.00 0.00 C ATOM 0 H ILE A 6 0.963 1.665 4.983 1.00 0.00 H new ATOM 0 HA ILE A 6 3.619 1.167 6.326 1.00 0.00 H new ATOM 0 HB ILE A 6 0.775 1.146 7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.996 3.069 8.217 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.880 3.458 6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.773 0.885 9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.120 -0.507 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.380 0.711 8.907 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.155 4.491 9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.038 3.286 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.096 2.891 9.821 1.00 0.00 H new ATOM 54 N LYS A 7 3.379 -1.406 6.386 1.00 0.00 N ATOM 55 CA LYS A 7 3.287 -2.891 6.267 1.00 0.00 C ATOM 56 C LYS A 7 2.061 -3.458 7.096 1.00 0.00 C ATOM 57 O LYS A 7 2.063 -3.302 8.324 1.00 0.00 O ATOM 58 CB LYS A 7 4.647 -3.487 6.736 1.00 0.00 C ATOM 59 CG LYS A 7 4.850 -4.987 6.379 1.00 0.00 C ATOM 60 CD LYS A 7 5.199 -5.920 7.569 1.00 0.00 C ATOM 61 CE LYS A 7 3.997 -6.410 8.412 1.00 0.00 C ATOM 62 NZ LYS A 7 3.529 -5.397 9.397 1.00 0.00 N ATOM 0 H LYS A 7 4.207 -1.074 6.881 1.00 0.00 H new ATOM 0 HA LYS A 7 3.102 -3.182 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.456 -2.908 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.728 -3.369 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.939 -5.356 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.646 -5.061 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.727 -6.791 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.891 -5.395 8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.174 -6.669 7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.278 -7.321 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.300 -5.867 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.279 -4.694 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.681 -4.921 9.029 1.00 0.00 H new ATOM 63 N PRO A 8 1.012 -4.106 6.496 1.00 0.00 N ATOM 64 CA PRO A 8 -0.267 -4.384 7.220 1.00 0.00 C ATOM 65 C PRO A 8 -0.238 -5.585 8.232 1.00 0.00 C ATOM 66 O PRO A 8 0.737 -6.337 8.337 1.00 0.00 O ATOM 67 CB PRO A 8 -1.236 -4.609 6.032 1.00 0.00 C ATOM 68 CG PRO A 8 -0.355 -5.147 4.905 1.00 0.00 C ATOM 69 CD PRO A 8 0.929 -4.337 5.040 1.00 0.00 C ATOM 0 HA PRO A 8 -0.544 -3.576 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.022 -5.318 6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.727 -3.680 5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.169 -6.215 5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.819 -5.004 3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.795 -4.884 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.879 -3.401 4.483 1.00 0.00 H new ATOM 70 N ARG A 9 -1.345 -5.745 8.987 1.00 0.00 N ATOM 71 CA ARG A 9 -1.488 -6.875 9.960 1.00 0.00 C ATOM 72 C ARG A 9 -1.752 -8.285 9.308 1.00 0.00 C ATOM 73 O ARG A 9 -1.254 -9.283 9.842 1.00 0.00 O ATOM 74 CB ARG A 9 -2.560 -6.462 11.012 1.00 0.00 C ATOM 75 CG ARG A 9 -2.863 -7.455 12.177 1.00 0.00 C ATOM 76 CD ARG A 9 -1.681 -7.833 13.108 1.00 0.00 C ATOM 77 NE ARG A 9 -0.927 -8.986 12.534 1.00 0.00 N ATOM 78 CZ ARG A 9 -0.153 -9.820 13.233 1.00 0.00 C ATOM 79 NH1 ARG A 9 0.097 -9.666 14.511 1.00 0.00 N ATOM 80 NH2 ARG A 9 0.377 -10.835 12.611 1.00 0.00 N ATOM 0 H ARG A 9 -2.150 -5.120 8.951 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.527 -7.032 10.450 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.248 -5.515 11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.494 -6.274 10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.654 -7.024 12.792 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.260 -8.373 11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.016 -6.978 13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.056 -8.090 14.099 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.009 -9.150 11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.307 -8.879 15.019 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.696 -10.333 14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.196 -10.975 11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.973 -11.489 13.118 1.00 0.00 H new ATOM 81 N ASP A 10 -2.474 -8.398 8.169 1.00 0.00 N ATOM 82 CA ASP A 10 -2.665 -9.727 7.480 1.00 0.00 C ATOM 83 C ASP A 10 -1.391 -10.222 6.676 1.00 0.00 C ATOM 84 O ASP A 10 -1.482 -10.685 5.535 1.00 0.00 O ATOM 85 CB ASP A 10 -3.922 -9.634 6.563 1.00 0.00 C ATOM 86 CG ASP A 10 -5.241 -9.411 7.307 1.00 0.00 C ATOM 87 OD1 ASP A 10 -5.845 -10.297 7.901 1.00 0.00 O ATOM 88 OD2 ASP A 10 -5.662 -8.118 7.233 1.00 0.00 O ATOM 0 H ASP A 10 -2.931 -7.613 7.704 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.814 -10.484 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.778 -8.819 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.999 -10.553 5.981 1.00 0.00 H new ATOM 89 N TRP A 11 -0.204 -10.160 7.313 1.00 0.00 N ATOM 90 CA TRP A 11 1.089 -10.460 6.644 1.00 0.00 C ATOM 91 C TRP A 11 1.568 -11.901 7.015 1.00 0.00 C ATOM 92 O TRP A 11 2.492 -12.095 7.812 1.00 0.00 O ATOM 93 CB TRP A 11 2.071 -9.333 7.080 1.00 0.00 C ATOM 94 CG TRP A 11 3.374 -9.269 6.267 1.00 0.00 C ATOM 95 CD1 TRP A 11 4.584 -9.940 6.562 1.00 0.00 C ATOM 96 CD2 TRP A 11 3.633 -8.508 5.149 1.00 0.00 C ATOM 97 NE1 TRP A 11 5.596 -9.603 5.628 1.00 0.00 N ATOM 98 CE2 TRP A 11 4.967 -8.716 4.766 1.00 0.00 C ATOM 99 CE3 TRP A 11 2.802 -7.623 4.426 1.00 0.00 C ATOM 100 CZ2 TRP A 11 5.500 -8.048 3.643 1.00 0.00 C ATOM 101 CZ3 TRP A 11 3.334 -6.976 3.307 1.00 0.00 C ATOM 102 CH2 TRP A 11 4.667 -7.185 2.920 1.00 0.00 C ATOM 0 H TRP A 11 -0.109 -9.904 8.296 1.00 0.00 H new ATOM 0 HA TRP A 11 1.013 -10.464 5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.561 -8.373 6.999 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.321 -9.474 8.132 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.719 -10.620 7.390 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.560 -9.935 5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.780 -7.451 4.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.528 -8.199 3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.711 -6.306 2.733 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.056 -6.673 2.052 1.00 0.00 H new ATOM 103 N ILE A 12 0.928 -12.913 6.404 1.00 0.00 N ATOM 104 CA ILE A 12 1.367 -14.334 6.555 1.00 0.00 C ATOM 105 C ILE A 12 2.168 -14.655 5.252 1.00 0.00 C ATOM 106 O ILE A 12 1.594 -14.904 4.186 1.00 0.00 O ATOM 107 CB ILE A 12 0.138 -15.277 6.834 1.00 0.00 C ATOM 108 CG1 ILE A 12 -0.586 -14.913 8.173 1.00 0.00 C ATOM 109 CG2 ILE A 12 0.571 -16.770 6.877 1.00 0.00 C ATOM 110 CD1 ILE A 12 -1.958 -15.587 8.365 1.00 0.00 C ATOM 0 H ILE A 12 0.112 -12.788 5.805 1.00 0.00 H new ATOM 0 HA ILE A 12 2.009 -14.501 7.420 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.559 -15.127 6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.060 -15.190 9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.718 -13.832 8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.300 -17.396 7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.012 -17.049 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.305 -16.913 7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.385 -15.277 9.319 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.625 -15.291 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.836 -16.670 8.357 1.00 0.00 H new ATOM 111 N ASP A 13 3.509 -14.580 5.335 1.00 0.00 N ATOM 112 CA ASP A 13 4.372 -14.561 4.117 1.00 0.00 C ATOM 113 C ASP A 13 4.716 -15.984 3.543 1.00 0.00 C ATOM 114 O ASP A 13 5.869 -16.427 3.548 1.00 0.00 O ATOM 115 CB ASP A 13 5.605 -13.641 4.390 1.00 0.00 C ATOM 116 CG ASP A 13 6.519 -14.033 5.562 1.00 0.00 C ATOM 117 OD1 ASP A 13 6.181 -13.959 6.739 1.00 0.00 O ATOM 118 OD2 ASP A 13 7.747 -14.449 5.146 1.00 0.00 O ATOM 0 H ASP A 13 4.022 -14.532 6.215 1.00 0.00 H new ATOM 0 HA ASP A 13 3.806 -14.128 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.210 -13.607 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.241 -12.629 4.568 1.00 0.00 H new ATOM 119 N GLU A 14 3.702 -16.652 2.956 1.00 0.00 N ATOM 120 CA GLU A 14 3.933 -17.866 2.111 1.00 0.00 C ATOM 121 C GLU A 14 4.076 -17.382 0.631 1.00 0.00 C ATOM 122 O GLU A 14 3.093 -17.192 -0.094 1.00 0.00 O ATOM 123 CB GLU A 14 2.769 -18.880 2.301 1.00 0.00 C ATOM 124 CG GLU A 14 2.689 -19.482 3.733 1.00 0.00 C ATOM 125 CD GLU A 14 1.443 -20.334 3.967 1.00 0.00 C ATOM 126 OE1 GLU A 14 1.385 -21.536 3.734 1.00 0.00 O ATOM 127 OE2 GLU A 14 0.407 -19.605 4.481 1.00 0.00 O ATOM 0 H GLU A 14 2.722 -16.384 3.043 1.00 0.00 H new ATOM 0 HA GLU A 14 4.843 -18.391 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.826 -18.383 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.885 -19.691 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.575 -20.091 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.707 -18.671 4.461 1.00 0.00 H new ATOM 128 N CYS A 15 5.324 -17.092 0.223 1.00 0.00 N ATOM 129 CA CYS A 15 5.575 -16.213 -0.954 1.00 0.00 C ATOM 130 C CYS A 15 5.764 -17.006 -2.286 1.00 0.00 C ATOM 131 O CYS A 15 6.869 -17.137 -2.827 1.00 0.00 O ATOM 132 CB CYS A 15 6.769 -15.336 -0.537 1.00 0.00 C ATOM 133 SG CYS A 15 6.329 -14.400 0.943 1.00 0.00 S ATOM 0 H CYS A 15 6.168 -17.442 0.676 1.00 0.00 H new ATOM 0 HA CYS A 15 4.715 -15.590 -1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.642 -15.958 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.036 -14.656 -1.346 1.00 0.00 H new ATOM 134 N ASP A 16 4.635 -17.527 -2.803 1.00 0.00 N ATOM 135 CA ASP A 16 4.666 -18.548 -3.888 1.00 0.00 C ATOM 136 C ASP A 16 4.669 -17.915 -5.323 1.00 0.00 C ATOM 137 O ASP A 16 3.624 -17.728 -5.955 1.00 0.00 O ATOM 138 CB ASP A 16 3.457 -19.512 -3.688 1.00 0.00 C ATOM 139 CG ASP A 16 3.526 -20.369 -2.421 1.00 0.00 C ATOM 140 OD1 ASP A 16 4.308 -21.470 -2.585 1.00 0.00 O ATOM 141 OD2 ASP A 16 2.944 -20.090 -1.377 1.00 0.00 O ATOM 0 H ASP A 16 3.697 -17.267 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 16 5.602 -19.102 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.540 -18.923 -3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.388 -20.171 -4.553 1.00 0.00 H new ATOM 142 N SER A 17 5.878 -17.657 -5.849 1.00 0.00 N ATOM 143 CA SER A 17 6.088 -17.483 -7.321 1.00 0.00 C ATOM 144 C SER A 17 7.516 -18.018 -7.670 1.00 0.00 C ATOM 145 O SER A 17 7.654 -19.135 -8.173 1.00 0.00 O ATOM 146 CB SER A 17 5.769 -16.040 -7.812 1.00 0.00 C ATOM 147 OG SER A 17 6.679 -15.065 -7.293 1.00 0.00 O ATOM 0 H SER A 17 6.728 -17.562 -5.293 1.00 0.00 H new ATOM 0 HA SER A 17 5.368 -18.077 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.800 -16.016 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.753 -15.776 -7.516 1.00 0.00 H new ATOM 0 HG SER A 17 6.437 -14.178 -7.632 1.00 0.00 H new ATOM 148 N ASN A 18 8.571 -17.259 -7.314 1.00 0.00 N ATOM 149 CA ASN A 18 9.922 -17.851 -7.072 1.00 0.00 C ATOM 150 C ASN A 18 10.233 -17.677 -5.547 1.00 0.00 C ATOM 151 O ASN A 18 10.003 -18.605 -4.769 1.00 0.00 O ATOM 152 CB ASN A 18 10.982 -17.242 -8.039 1.00 0.00 C ATOM 153 CG ASN A 18 10.900 -17.794 -9.467 1.00 0.00 C ATOM 154 OD1 ASN A 18 11.450 -18.842 -9.783 1.00 0.00 O ATOM 155 ND2 ASN A 18 10.224 -17.110 -10.358 1.00 0.00 N ATOM 0 H ASN A 18 8.526 -16.248 -7.186 1.00 0.00 H new ATOM 0 HA ASN A 18 9.952 -18.917 -7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.855 -16.160 -8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.978 -17.435 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.155 -17.450 -11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.767 -16.238 -10.092 1.00 0.00 H new ATOM 156 N GLU A 19 10.693 -16.484 -5.110 1.00 0.00 N ATOM 157 CA GLU A 19 10.774 -16.151 -3.655 1.00 0.00 C ATOM 158 C GLU A 19 10.267 -14.684 -3.480 1.00 0.00 C ATOM 159 O GLU A 19 11.057 -13.732 -3.509 1.00 0.00 O ATOM 160 CB GLU A 19 12.228 -16.325 -3.123 1.00 0.00 C ATOM 161 CG GLU A 19 12.719 -17.793 -3.044 1.00 0.00 C ATOM 162 CD GLU A 19 14.131 -17.904 -2.475 1.00 0.00 C ATOM 163 OE1 GLU A 19 14.131 -18.024 -1.118 1.00 0.00 O ATOM 164 OE2 GLU A 19 15.147 -17.884 -3.163 1.00 0.00 O ATOM 0 H GLU A 19 11.012 -15.738 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 19 10.152 -16.830 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.905 -15.764 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.292 -15.881 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.034 -18.370 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.696 -18.235 -4.040 1.00 0.00 H new ATOM 165 N GLY A 20 8.940 -14.494 -3.333 1.00 0.00 N ATOM 166 CA GLY A 20 8.385 -13.115 -3.235 1.00 0.00 C ATOM 167 C GLY A 20 6.884 -12.956 -3.555 1.00 0.00 C ATOM 168 O GLY A 20 6.107 -12.517 -2.704 1.00 0.00 O ATOM 0 H GLY A 20 8.249 -15.243 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.560 -12.747 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.948 -12.471 -3.910 1.00 0.00 H new ATOM 169 N GLY A 21 6.494 -13.238 -4.806 1.00 0.00 N ATOM 170 CA GLY A 21 5.104 -12.974 -5.272 1.00 0.00 C ATOM 171 C GLY A 21 4.999 -11.674 -6.098 1.00 0.00 C ATOM 172 O GLY A 21 5.100 -11.703 -7.326 1.00 0.00 O ATOM 0 H GLY A 21 7.105 -13.644 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.760 -13.814 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.441 -12.908 -4.410 1.00 0.00 H new ATOM 173 N GLU A 22 4.786 -10.541 -5.406 1.00 0.00 N ATOM 174 CA GLU A 22 4.650 -9.205 -6.066 1.00 0.00 C ATOM 175 C GLU A 22 5.339 -8.103 -5.182 1.00 0.00 C ATOM 176 O GLU A 22 5.345 -8.182 -3.949 1.00 0.00 O ATOM 177 CB GLU A 22 3.133 -8.932 -6.288 1.00 0.00 C ATOM 178 CG GLU A 22 2.816 -7.651 -7.112 1.00 0.00 C ATOM 179 CD GLU A 22 1.326 -7.313 -7.212 1.00 0.00 C ATOM 180 OE1 GLU A 22 0.418 -8.036 -6.810 1.00 0.00 O ATOM 181 OE2 GLU A 22 1.123 -6.096 -7.787 1.00 0.00 O ATOM 0 H GLU A 22 4.702 -10.511 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 22 5.150 -9.187 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.694 -9.791 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.646 -8.852 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.338 -6.806 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.216 -7.773 -8.118 1.00 0.00 H new ATOM 182 N ARG A 23 5.931 -7.072 -5.814 1.00 0.00 N ATOM 183 CA ARG A 23 6.687 -6.016 -5.067 1.00 0.00 C ATOM 184 C ARG A 23 5.757 -5.025 -4.284 1.00 0.00 C ATOM 185 O ARG A 23 4.790 -4.485 -4.833 1.00 0.00 O ATOM 186 CB ARG A 23 7.574 -5.219 -6.072 1.00 0.00 C ATOM 187 CG ARG A 23 8.753 -6.020 -6.704 1.00 0.00 C ATOM 188 CD ARG A 23 10.148 -5.767 -6.087 1.00 0.00 C ATOM 189 NE ARG A 23 10.222 -6.168 -4.652 1.00 0.00 N ATOM 190 CZ ARG A 23 11.354 -6.201 -3.943 1.00 0.00 C ATOM 191 NH1 ARG A 23 12.536 -5.965 -4.461 1.00 0.00 N ATOM 192 NH2 ARG A 23 11.277 -6.475 -2.678 1.00 0.00 N ATOM 0 H ARG A 23 5.909 -6.937 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 23 7.299 -6.523 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.938 -4.846 -6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.982 -4.348 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.529 -7.084 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.799 -5.784 -7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.897 -6.319 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.395 -4.709 -6.178 1.00 0.00 H new ATOM 0 HE ARG A 23 9.356 -6.433 -4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.623 -5.743 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.368 -6.004 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.369 -6.658 -2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.124 -6.507 -2.111 1.00 0.00 H new ATOM 193 N ALA A 24 6.104 -4.768 -3.007 1.00 0.00 N ATOM 194 CA ALA A 24 5.503 -3.649 -2.228 1.00 0.00 C ATOM 195 C ALA A 24 6.568 -2.557 -1.894 1.00 0.00 C ATOM 196 O ALA A 24 7.768 -2.835 -1.789 1.00 0.00 O ATOM 197 CB ALA A 24 4.926 -4.220 -0.919 1.00 0.00 C ATOM 0 H ALA A 24 6.793 -5.313 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 24 4.719 -3.183 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.481 -3.414 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.163 -4.963 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.724 -4.687 -0.343 1.00 0.00 H new ATOM 198 N TYR A 25 6.113 -1.310 -1.687 1.00 0.00 N ATOM 199 CA TYR A 25 7.026 -0.203 -1.272 1.00 0.00 C ATOM 200 C TYR A 25 6.375 0.599 -0.103 1.00 0.00 C ATOM 201 O TYR A 25 5.328 1.236 -0.268 1.00 0.00 O ATOM 202 CB TYR A 25 7.386 0.691 -2.494 1.00 0.00 C ATOM 203 CG TYR A 25 8.540 0.129 -3.341 1.00 0.00 C ATOM 204 CD1 TYR A 25 8.283 -0.761 -4.387 1.00 0.00 C ATOM 205 CD2 TYR A 25 9.862 0.493 -3.055 1.00 0.00 C ATOM 206 CE1 TYR A 25 9.332 -1.280 -5.140 1.00 0.00 C ATOM 207 CE2 TYR A 25 10.908 -0.023 -3.817 1.00 0.00 C ATOM 208 CZ TYR A 25 10.643 -0.906 -4.858 1.00 0.00 C ATOM 209 OH TYR A 25 11.673 -1.406 -5.606 1.00 0.00 O ATOM 0 H TYR A 25 5.137 -1.034 -1.795 1.00 0.00 H new ATOM 0 HA TYR A 25 7.966 -0.613 -0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.504 0.805 -3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.655 1.686 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.266 -1.047 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.071 1.174 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.129 -1.973 -5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.926 0.263 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 25 12.522 -1.043 -5.278 1.00 0.00 H new ATOM 210 N PHE A 26 7.013 0.550 1.086 1.00 0.00 N ATOM 211 CA PHE A 26 6.437 1.154 2.327 1.00 0.00 C ATOM 212 C PHE A 26 7.410 2.217 2.940 1.00 0.00 C ATOM 213 O PHE A 26 8.637 2.066 2.905 1.00 0.00 O ATOM 214 CB PHE A 26 6.120 0.026 3.361 1.00 0.00 C ATOM 215 CG PHE A 26 5.048 -1.011 2.939 1.00 0.00 C ATOM 216 CD1 PHE A 26 3.796 -0.607 2.459 1.00 0.00 C ATOM 217 CD2 PHE A 26 5.314 -2.377 3.077 1.00 0.00 C ATOM 218 CE1 PHE A 26 2.833 -1.552 2.125 1.00 0.00 C ATOM 219 CE2 PHE A 26 4.357 -3.322 2.723 1.00 0.00 C ATOM 220 CZ PHE A 26 3.113 -2.910 2.254 1.00 0.00 C ATOM 0 H PHE A 26 7.920 0.104 1.222 1.00 0.00 H new ATOM 0 HA PHE A 26 5.511 1.669 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.045 -0.508 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.796 0.495 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.577 0.445 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.270 -2.701 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.866 -1.233 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.579 -4.375 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.365 -3.643 1.990 1.00 0.00 H new ATOM 221 N ARG A 27 6.844 3.299 3.517 1.00 0.00 N ATOM 222 CA ARG A 27 7.661 4.425 4.069 1.00 0.00 C ATOM 223 C ARG A 27 8.410 4.038 5.395 1.00 0.00 C ATOM 224 O ARG A 27 7.807 3.522 6.341 1.00 0.00 O ATOM 225 CB ARG A 27 6.701 5.644 4.260 1.00 0.00 C ATOM 226 CG ARG A 27 7.384 6.923 4.817 1.00 0.00 C ATOM 227 CD ARG A 27 6.450 8.149 4.894 1.00 0.00 C ATOM 228 NE ARG A 27 7.182 9.240 5.607 1.00 0.00 N ATOM 229 CZ ARG A 27 7.002 10.551 5.416 1.00 0.00 C ATOM 230 NH1 ARG A 27 6.184 11.057 4.524 1.00 0.00 N ATOM 231 NH2 ARG A 27 7.683 11.367 6.164 1.00 0.00 N ATOM 0 H ARG A 27 5.837 3.425 3.617 1.00 0.00 H new ATOM 0 HA ARG A 27 8.459 4.681 3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.241 5.882 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.896 5.354 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.772 6.711 5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.239 7.169 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.162 8.473 3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.531 7.896 5.424 1.00 0.00 H new ATOM 0 HE ARG A 27 7.878 8.960 6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.638 10.439 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.094 12.069 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.326 11.000 6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.574 12.375 6.050 1.00 0.00 H new ATOM 232 N ASN A 28 9.720 4.362 5.479 1.00 0.00 N ATOM 233 CA ASN A 28 10.519 4.113 6.730 1.00 0.00 C ATOM 234 C ASN A 28 10.423 5.251 7.822 1.00 0.00 C ATOM 235 O ASN A 28 11.422 5.606 8.460 1.00 0.00 O ATOM 236 CB ASN A 28 11.987 3.772 6.316 1.00 0.00 C ATOM 237 CG ASN A 28 12.826 4.895 5.674 1.00 0.00 C ATOM 238 OD1 ASN A 28 13.409 5.739 6.348 1.00 0.00 O ATOM 239 ND2 ASN A 28 12.936 4.916 4.370 1.00 0.00 N ATOM 0 H ASN A 28 10.250 4.789 4.719 1.00 0.00 H new ATOM 0 HA ASN A 28 10.076 3.262 7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.515 3.424 7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.954 2.936 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.505 5.632 3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.453 4.216 3.806 1.00 0.00 H new ATOM 240 N GLY A 29 9.217 5.821 8.046 1.00 0.00 N ATOM 241 CA GLY A 29 9.054 6.990 8.961 1.00 0.00 C ATOM 242 C GLY A 29 9.571 8.330 8.375 1.00 0.00 C ATOM 243 O GLY A 29 8.792 9.195 7.966 1.00 0.00 O ATOM 0 H GLY A 29 8.349 5.501 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.998 7.098 9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.582 6.785 9.892 1.00 0.00 H new ATOM 244 N LYS A 30 10.904 8.480 8.347 1.00 0.00 N ATOM 245 CA LYS A 30 11.572 9.741 7.906 1.00 0.00 C ATOM 246 C LYS A 30 11.420 10.082 6.376 1.00 0.00 C ATOM 247 O LYS A 30 10.875 11.138 6.044 1.00 0.00 O ATOM 248 CB LYS A 30 13.049 9.735 8.429 1.00 0.00 C ATOM 249 CG LYS A 30 13.983 8.654 7.815 1.00 0.00 C ATOM 250 CD LYS A 30 15.336 8.499 8.545 1.00 0.00 C ATOM 251 CE LYS A 30 16.261 7.441 7.893 1.00 0.00 C ATOM 252 NZ LYS A 30 15.668 6.072 7.969 1.00 0.00 N ATOM 0 H LYS A 30 11.555 7.745 8.624 1.00 0.00 H new ATOM 0 HA LYS A 30 11.043 10.579 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.485 10.715 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.030 9.600 9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.466 7.695 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.172 8.904 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.847 9.461 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.152 8.222 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.438 7.704 6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.230 7.447 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.378 5.369 7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.366 5.878 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.846 6.014 7.335 1.00 0.00 H new ATOM 253 N GLY A 31 11.899 9.220 5.457 1.00 0.00 N ATOM 254 CA GLY A 31 11.983 9.592 4.020 1.00 0.00 C ATOM 255 C GLY A 31 12.484 8.434 3.128 1.00 0.00 C ATOM 256 O GLY A 31 13.415 7.703 3.484 1.00 0.00 O ATOM 0 H GLY A 31 12.229 8.279 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.000 9.911 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.652 10.445 3.909 1.00 0.00 H new ATOM 257 N GLY A 32 11.849 8.278 1.956 1.00 0.00 N ATOM 258 CA GLY A 32 12.111 7.106 1.076 1.00 0.00 C ATOM 259 C GLY A 32 11.205 5.885 1.380 1.00 0.00 C ATOM 260 O GLY A 32 10.548 5.795 2.425 1.00 0.00 O ATOM 0 H GLY A 32 11.158 8.933 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.969 7.404 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.154 6.809 1.182 1.00 0.00 H new ATOM 261 N CYS A 33 11.203 4.924 0.444 1.00 0.00 N ATOM 262 CA CYS A 33 10.420 3.670 0.604 1.00 0.00 C ATOM 263 C CYS A 33 11.345 2.412 0.603 1.00 0.00 C ATOM 264 O CYS A 33 12.192 2.241 -0.280 1.00 0.00 O ATOM 265 CB CYS A 33 9.399 3.584 -0.542 1.00 0.00 C ATOM 266 SG CYS A 33 8.218 4.942 -0.466 1.00 0.00 S ATOM 0 H CYS A 33 11.728 4.982 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 33 9.908 3.691 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.920 3.605 -1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.868 2.634 -0.489 1.00 0.00 H new ATOM 267 N ASP A 34 11.140 1.502 1.574 1.00 0.00 N ATOM 268 CA ASP A 34 11.836 0.180 1.562 1.00 0.00 C ATOM 269 C ASP A 34 11.110 -0.829 0.611 1.00 0.00 C ATOM 270 O ASP A 34 9.875 -0.889 0.559 1.00 0.00 O ATOM 271 CB ASP A 34 11.885 -0.411 2.997 1.00 0.00 C ATOM 272 CG ASP A 34 12.831 0.278 3.978 1.00 0.00 C ATOM 273 OD1 ASP A 34 14.099 0.388 3.492 1.00 0.00 O ATOM 274 OD2 ASP A 34 12.490 0.653 5.092 1.00 0.00 O ATOM 0 H ASP A 34 10.513 1.643 2.366 1.00 0.00 H new ATOM 0 HA ASP A 34 12.850 0.339 1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.878 -0.382 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.170 -1.461 2.926 1.00 0.00 H new ATOM 275 N SER A 35 11.900 -1.641 -0.115 1.00 0.00 N ATOM 276 CA SER A 35 11.340 -2.642 -1.063 1.00 0.00 C ATOM 277 C SER A 35 10.919 -3.964 -0.337 1.00 0.00 C ATOM 278 O SER A 35 11.771 -4.784 0.029 1.00 0.00 O ATOM 279 CB SER A 35 12.403 -2.914 -2.156 1.00 0.00 C ATOM 280 OG SER A 35 13.515 -3.647 -1.631 1.00 0.00 O ATOM 0 H SER A 35 12.919 -1.630 -0.070 1.00 0.00 H new ATOM 0 HA SER A 35 10.431 -2.245 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.950 -3.473 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.752 -1.968 -2.570 1.00 0.00 H new ATOM 0 HG SER A 35 13.223 -4.177 -0.861 1.00 0.00 H new ATOM 281 N PHE A 36 9.606 -4.166 -0.167 1.00 0.00 N ATOM 282 CA PHE A 36 9.053 -5.403 0.459 1.00 0.00 C ATOM 283 C PHE A 36 8.485 -6.390 -0.629 1.00 0.00 C ATOM 284 O PHE A 36 8.480 -6.123 -1.841 1.00 0.00 O ATOM 285 CB PHE A 36 7.957 -4.957 1.486 1.00 0.00 C ATOM 286 CG PHE A 36 8.494 -4.503 2.854 1.00 0.00 C ATOM 287 CD1 PHE A 36 8.853 -3.167 3.063 1.00 0.00 C ATOM 288 CD2 PHE A 36 8.551 -5.406 3.922 1.00 0.00 C ATOM 289 CE1 PHE A 36 9.244 -2.738 4.328 1.00 0.00 C ATOM 290 CE2 PHE A 36 8.956 -4.974 5.183 1.00 0.00 C ATOM 291 CZ PHE A 36 9.300 -3.640 5.386 1.00 0.00 C ATOM 0 H PHE A 36 8.894 -3.493 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 36 9.837 -5.956 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.382 -4.141 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.267 -5.786 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.827 -2.467 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.280 -6.440 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.505 -1.702 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.003 -5.674 6.004 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.610 -3.305 6.365 1.00 0.00 H new ATOM 292 N TRP A 37 8.025 -7.565 -0.169 1.00 0.00 N ATOM 293 CA TRP A 37 7.304 -8.540 -1.037 1.00 0.00 C ATOM 294 C TRP A 37 5.881 -8.785 -0.444 1.00 0.00 C ATOM 295 O TRP A 37 5.742 -9.141 0.728 1.00 0.00 O ATOM 296 CB TRP A 37 8.104 -9.869 -1.104 1.00 0.00 C ATOM 297 CG TRP A 37 9.368 -9.808 -1.979 1.00 0.00 C ATOM 298 CD1 TRP A 37 10.701 -9.921 -1.523 1.00 0.00 C ATOM 299 CD2 TRP A 37 9.447 -9.767 -3.355 1.00 0.00 C ATOM 300 NE1 TRP A 37 11.614 -9.943 -2.608 1.00 0.00 N ATOM 301 CE2 TRP A 37 10.796 -9.864 -3.727 1.00 0.00 C ATOM 302 CE3 TRP A 37 8.426 -9.743 -4.334 1.00 0.00 C ATOM 303 CZ2 TRP A 37 11.159 -9.941 -5.090 1.00 0.00 C ATOM 304 CZ3 TRP A 37 8.794 -9.817 -5.681 1.00 0.00 C ATOM 305 CH2 TRP A 37 10.145 -9.911 -6.055 1.00 0.00 C ATOM 0 H TRP A 37 8.134 -7.872 0.797 1.00 0.00 H new ATOM 0 HA TRP A 37 7.208 -8.145 -2.048 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.391 -10.157 -0.093 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.450 -10.653 -1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 37 10.987 -9.983 -0.483 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.632 -10.003 -2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 37 7.387 -9.669 -4.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.196 -10.021 -5.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 8.030 -9.802 -6.444 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.405 -9.961 -7.102 1.00 0.00 H new ATOM 306 N ILE A 38 4.827 -8.613 -1.266 1.00 0.00 N ATOM 307 CA ILE A 38 3.405 -8.801 -0.811 1.00 0.00 C ATOM 308 C ILE A 38 3.120 -10.281 -0.368 1.00 0.00 C ATOM 309 O ILE A 38 2.708 -10.500 0.772 1.00 0.00 O ATOM 310 CB ILE A 38 2.385 -8.291 -1.916 1.00 0.00 C ATOM 311 CG1 ILE A 38 2.582 -6.784 -2.256 1.00 0.00 C ATOM 312 CG2 ILE A 38 0.904 -8.510 -1.489 1.00 0.00 C ATOM 313 CD1 ILE A 38 1.835 -6.270 -3.501 1.00 0.00 C ATOM 0 H ILE A 38 4.916 -8.346 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 38 3.255 -8.186 0.077 1.00 0.00 H new ATOM 0 HB ILE A 38 2.600 -8.887 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.265 -6.193 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.647 -6.599 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.241 -8.147 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.726 -9.573 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.707 -7.964 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.046 -5.210 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.167 -6.824 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.763 -6.412 -3.366 1.00 0.00 H new ATOM 314 N CYS A 39 3.315 -11.260 -1.285 1.00 0.00 N ATOM 315 CA CYS A 39 2.929 -12.690 -1.072 1.00 0.00 C ATOM 316 C CYS A 39 1.380 -12.912 -1.319 1.00 0.00 C ATOM 317 O CYS A 39 0.580 -12.087 -0.860 1.00 0.00 O ATOM 318 CB CYS A 39 3.462 -13.286 0.258 1.00 0.00 C ATOM 319 SG CYS A 39 5.207 -12.828 0.430 1.00 0.00 S ATOM 0 H CYS A 39 3.743 -11.088 -2.195 1.00 0.00 H new ATOM 0 HA CYS A 39 3.442 -13.278 -1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.885 -12.907 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.353 -14.370 0.259 1.00 0.00 H new ATOM 320 N PRO A 40 0.905 -13.982 -2.047 1.00 0.00 N ATOM 321 CA PRO A 40 -0.531 -14.121 -2.458 1.00 0.00 C ATOM 322 C PRO A 40 -1.661 -13.833 -1.411 1.00 0.00 C ATOM 323 O PRO A 40 -2.555 -13.026 -1.682 1.00 0.00 O ATOM 324 CB PRO A 40 -0.562 -15.562 -3.013 1.00 0.00 C ATOM 325 CG PRO A 40 0.845 -15.797 -3.565 1.00 0.00 C ATOM 326 CD PRO A 40 1.770 -15.041 -2.611 1.00 0.00 C ATOM 0 HA PRO A 40 -0.792 -13.329 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.806 -16.282 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.316 -15.670 -3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.087 -16.859 -3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.937 -15.423 -4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.162 -15.695 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.628 -14.620 -3.135 1.00 0.00 H new ATOM 327 N GLU A 41 -1.604 -14.461 -0.220 1.00 0.00 N ATOM 328 CA GLU A 41 -2.645 -14.257 0.841 1.00 0.00 C ATOM 329 C GLU A 41 -2.704 -12.836 1.517 1.00 0.00 C ATOM 330 O GLU A 41 -3.777 -12.426 1.969 1.00 0.00 O ATOM 331 CB GLU A 41 -2.537 -15.411 1.875 1.00 0.00 C ATOM 332 CG GLU A 41 -1.272 -15.394 2.775 1.00 0.00 C ATOM 333 CD GLU A 41 -1.121 -16.667 3.605 1.00 0.00 C ATOM 334 OE1 GLU A 41 -1.935 -17.043 4.442 1.00 0.00 O ATOM 335 OE2 GLU A 41 0.031 -17.327 3.313 1.00 0.00 O ATOM 0 H GLU A 41 -0.862 -15.110 0.043 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.606 -14.288 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.417 -15.382 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.565 -16.359 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.388 -15.266 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.318 -14.533 3.442 1.00 0.00 H new ATOM 336 N ASP A 42 -1.592 -12.068 1.548 1.00 0.00 N ATOM 337 CA ASP A 42 -1.655 -10.622 1.933 1.00 0.00 C ATOM 338 C ASP A 42 -2.403 -9.691 0.894 1.00 0.00 C ATOM 339 O ASP A 42 -2.857 -8.607 1.269 1.00 0.00 O ATOM 340 CB ASP A 42 -0.197 -10.156 2.189 1.00 0.00 C ATOM 341 CG ASP A 42 -0.097 -8.759 2.805 1.00 0.00 C ATOM 342 OD1 ASP A 42 -0.366 -8.507 3.973 1.00 0.00 O ATOM 343 OD2 ASP A 42 0.308 -7.825 1.902 1.00 0.00 O ATOM 0 H ASP A 42 -0.657 -12.405 1.319 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.266 -10.530 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.293 -10.871 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.350 -10.168 1.246 1.00 0.00 H new ATOM 344 N HIS A 43 -2.538 -10.096 -0.390 1.00 0.00 N ATOM 345 CA HIS A 43 -3.222 -9.269 -1.422 1.00 0.00 C ATOM 346 C HIS A 43 -4.792 -9.337 -1.295 1.00 0.00 C ATOM 347 O HIS A 43 -5.476 -9.962 -2.114 1.00 0.00 O ATOM 348 CB HIS A 43 -2.680 -9.770 -2.800 1.00 0.00 C ATOM 349 CG HIS A 43 -2.933 -8.822 -3.976 1.00 0.00 C ATOM 350 ND1 HIS A 43 -4.184 -8.540 -4.501 1.00 0.00 N ATOM 351 CD2 HIS A 43 -1.938 -8.174 -4.738 1.00 0.00 C ATOM 352 CE1 HIS A 43 -3.844 -7.716 -5.538 1.00 0.00 C ATOM 353 NE2 HIS A 43 -2.524 -7.446 -5.767 1.00 0.00 N ATOM 0 H HIS A 43 -2.185 -10.987 -0.739 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.003 -8.208 -1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.607 -9.938 -2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.136 -10.734 -3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.876 -8.235 -4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.608 -7.284 -6.167 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.091 -6.872 -6.490 1.00 0.00 H new ATOM 354 N THR A 44 -5.364 -8.630 -0.295 1.00 0.00 N ATOM 355 CA THR A 44 -6.856 -8.521 -0.149 1.00 0.00 C ATOM 356 C THR A 44 -7.383 -7.377 -1.085 1.00 0.00 C ATOM 357 O THR A 44 -7.598 -6.238 -0.660 1.00 0.00 O ATOM 358 CB THR A 44 -7.203 -8.320 1.363 1.00 0.00 C ATOM 359 OG1 THR A 44 -6.747 -9.444 2.112 1.00 0.00 O ATOM 360 CG2 THR A 44 -8.710 -8.187 1.652 1.00 0.00 C ATOM 0 H THR A 44 -4.836 -8.129 0.419 1.00 0.00 H new ATOM 0 HA THR A 44 -7.361 -9.433 -0.466 1.00 0.00 H new ATOM 0 HB THR A 44 -6.713 -7.389 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.964 -9.316 3.059 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.865 -8.051 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.109 -7.326 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.225 -9.090 1.323 1.00 0.00 H new ATOM 361 N GLY A 45 -7.519 -7.689 -2.392 1.00 0.00 N ATOM 362 CA GLY A 45 -7.850 -6.653 -3.423 1.00 0.00 C ATOM 363 C GLY A 45 -6.847 -5.475 -3.652 1.00 0.00 C ATOM 364 O GLY A 45 -7.214 -4.498 -4.306 1.00 0.00 O ATOM 0 H GLY A 45 -7.409 -8.632 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.982 -7.165 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.814 -6.219 -3.158 1.00 0.00 H new ATOM 365 N ALA A 46 -5.612 -5.549 -3.113 1.00 0.00 N ATOM 366 CA ALA A 46 -4.740 -4.354 -2.981 1.00 0.00 C ATOM 367 C ALA A 46 -3.310 -4.602 -3.552 1.00 0.00 C ATOM 368 O ALA A 46 -2.555 -5.450 -3.060 1.00 0.00 O ATOM 369 CB ALA A 46 -4.680 -4.016 -1.477 1.00 0.00 C ATOM 0 H ALA A 46 -5.196 -6.412 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.150 -3.526 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.048 -3.141 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.685 -3.806 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.264 -4.862 -0.930 1.00 0.00 H new ATOM 370 N ASP A 47 -2.922 -3.807 -4.569 1.00 0.00 N ATOM 371 CA ASP A 47 -1.494 -3.723 -4.995 1.00 0.00 C ATOM 372 C ASP A 47 -0.770 -2.666 -4.096 1.00 0.00 C ATOM 373 O ASP A 47 -1.007 -1.459 -4.220 1.00 0.00 O ATOM 374 CB ASP A 47 -1.403 -3.331 -6.497 1.00 0.00 C ATOM 375 CG ASP A 47 -1.921 -4.395 -7.467 1.00 0.00 C ATOM 376 OD1 ASP A 47 -1.387 -5.492 -7.621 1.00 0.00 O ATOM 377 OD2 ASP A 47 -3.034 -3.986 -8.137 1.00 0.00 O ATOM 0 H ASP A 47 -3.558 -3.220 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.009 -4.692 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.966 -2.411 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.363 -3.113 -6.739 1.00 0.00 H new ATOM 378 N TYR A 48 0.100 -3.128 -3.176 1.00 0.00 N ATOM 379 CA TYR A 48 0.706 -2.234 -2.133 1.00 0.00 C ATOM 380 C TYR A 48 1.924 -1.378 -2.661 1.00 0.00 C ATOM 381 O TYR A 48 3.045 -1.460 -2.149 1.00 0.00 O ATOM 382 CB TYR A 48 1.105 -3.130 -0.918 1.00 0.00 C ATOM 383 CG TYR A 48 -0.060 -3.757 -0.121 1.00 0.00 C ATOM 384 CD1 TYR A 48 -0.632 -3.067 0.954 1.00 0.00 C ATOM 385 CD2 TYR A 48 -0.536 -5.032 -0.446 1.00 0.00 C ATOM 386 CE1 TYR A 48 -1.678 -3.636 1.677 1.00 0.00 C ATOM 387 CE2 TYR A 48 -1.576 -5.601 0.284 1.00 0.00 C ATOM 388 CZ TYR A 48 -2.148 -4.903 1.342 1.00 0.00 C ATOM 389 OH TYR A 48 -3.170 -5.471 2.054 1.00 0.00 O ATOM 0 H TYR A 48 0.404 -4.100 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.033 -1.490 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.744 -3.935 -1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.705 -2.531 -0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.261 -2.089 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.095 -5.577 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.124 -3.094 2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.939 -6.586 0.028 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.191 -6.436 1.883 1.00 0.00 H new ATOM 390 N TYR A 49 1.664 -0.538 -3.687 1.00 0.00 N ATOM 391 CA TYR A 49 2.715 0.244 -4.415 1.00 0.00 C ATOM 392 C TYR A 49 3.761 -0.666 -5.145 1.00 0.00 C ATOM 393 O TYR A 49 4.691 -1.196 -4.532 1.00 0.00 O ATOM 394 CB TYR A 49 3.405 1.344 -3.551 1.00 0.00 C ATOM 395 CG TYR A 49 2.469 2.442 -3.009 1.00 0.00 C ATOM 396 CD1 TYR A 49 1.759 3.275 -3.885 1.00 0.00 C ATOM 397 CD2 TYR A 49 2.340 2.631 -1.632 1.00 0.00 C ATOM 398 CE1 TYR A 49 0.920 4.267 -3.383 1.00 0.00 C ATOM 399 CE2 TYR A 49 1.505 3.629 -1.136 1.00 0.00 C ATOM 400 CZ TYR A 49 0.791 4.441 -2.011 1.00 0.00 C ATOM 401 OH TYR A 49 -0.028 5.415 -1.511 1.00 0.00 O ATOM 0 H TYR A 49 0.722 -0.376 -4.042 1.00 0.00 H new ATOM 0 HA TYR A 49 2.164 0.779 -5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.899 0.863 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.184 1.817 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.863 3.147 -4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.890 2.001 -0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.369 4.902 -4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.412 3.773 -0.070 1.00 0.00 H new ATOM 0 HH TYR A 49 0.000 5.395 -0.532 1.00 0.00 H new ATOM 402 N SER A 50 3.607 -0.818 -6.473 1.00 0.00 N ATOM 403 CA SER A 50 4.541 -1.651 -7.291 1.00 0.00 C ATOM 404 C SER A 50 6.003 -1.098 -7.434 1.00 0.00 C ATOM 405 O SER A 50 6.955 -1.875 -7.317 1.00 0.00 O ATOM 406 CB SER A 50 3.886 -1.898 -8.674 1.00 0.00 C ATOM 407 OG SER A 50 3.686 -0.673 -9.389 1.00 0.00 O ATOM 0 H SER A 50 2.856 -0.384 -7.009 1.00 0.00 H new ATOM 0 HA SER A 50 4.685 -2.585 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.517 -2.564 -9.262 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.929 -2.402 -8.539 1.00 0.00 H new ATOM 0 HG SER A 50 3.273 -0.864 -10.257 1.00 0.00 H new ATOM 408 N SER A 51 6.178 0.217 -7.698 1.00 0.00 N ATOM 409 CA SER A 51 7.531 0.827 -7.857 1.00 0.00 C ATOM 410 C SER A 51 7.871 1.869 -6.736 1.00 0.00 C ATOM 411 O SER A 51 6.996 2.398 -6.036 1.00 0.00 O ATOM 412 CB SER A 51 7.623 1.462 -9.274 1.00 0.00 C ATOM 413 OG SER A 51 6.889 2.688 -9.366 1.00 0.00 O ATOM 0 H SER A 51 5.409 0.878 -7.806 1.00 0.00 H new ATOM 0 HA SER A 51 8.278 0.040 -7.751 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.669 1.647 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.242 0.756 -10.012 1.00 0.00 H new ATOM 0 HG SER A 51 5.975 2.547 -9.041 1.00 0.00 H new ATOM 414 N TYR A 52 9.173 2.214 -6.633 1.00 0.00 N ATOM 415 CA TYR A 52 9.630 3.353 -5.773 1.00 0.00 C ATOM 416 C TYR A 52 9.002 4.744 -6.169 1.00 0.00 C ATOM 417 O TYR A 52 8.610 5.503 -5.283 1.00 0.00 O ATOM 418 CB TYR A 52 11.189 3.367 -5.803 1.00 0.00 C ATOM 419 CG TYR A 52 11.852 4.263 -4.735 1.00 0.00 C ATOM 420 CD1 TYR A 52 12.065 5.625 -4.984 1.00 0.00 C ATOM 421 CD2 TYR A 52 12.297 3.709 -3.529 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.705 6.419 -4.035 1.00 0.00 C ATOM 423 CE2 TYR A 52 12.951 4.505 -2.591 1.00 0.00 C ATOM 424 CZ TYR A 52 13.148 5.859 -2.840 1.00 0.00 C ATOM 425 OH TYR A 52 13.800 6.638 -1.922 1.00 0.00 O ATOM 0 H TYR A 52 9.926 1.733 -7.124 1.00 0.00 H new ATOM 0 HA TYR A 52 9.273 3.195 -4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.549 2.346 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.516 3.699 -6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.732 6.061 -5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.133 2.661 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.858 7.471 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.306 4.070 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 52 14.041 6.094 -1.143 1.00 0.00 H new ATOM 426 N ARG A 53 8.871 5.054 -7.481 1.00 0.00 N ATOM 427 CA ARG A 53 8.128 6.266 -7.955 1.00 0.00 C ATOM 428 C ARG A 53 6.632 6.362 -7.466 1.00 0.00 C ATOM 429 O ARG A 53 6.192 7.440 -7.058 1.00 0.00 O ATOM 430 CB ARG A 53 8.234 6.275 -9.510 1.00 0.00 C ATOM 431 CG ARG A 53 7.756 7.566 -10.236 1.00 0.00 C ATOM 432 CD ARG A 53 8.742 8.754 -10.159 1.00 0.00 C ATOM 433 NE ARG A 53 8.514 9.577 -8.935 1.00 0.00 N ATOM 434 CZ ARG A 53 9.399 10.447 -8.436 1.00 0.00 C ATOM 435 NH1 ARG A 53 10.613 10.593 -8.908 1.00 0.00 N ATOM 436 NH2 ARG A 53 9.028 11.188 -7.436 1.00 0.00 N ATOM 0 H ARG A 53 9.265 4.490 -8.234 1.00 0.00 H new ATOM 0 HA ARG A 53 8.587 7.150 -7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.275 6.098 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.657 5.434 -9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.574 7.330 -11.284 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.802 7.875 -9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.766 8.379 -10.161 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.630 9.379 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 53 7.625 9.469 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.925 10.026 -9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.246 11.273 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.086 11.096 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.678 11.862 -7.032 1.00 0.00 H new ATOM 437 N ASP A 54 5.872 5.241 -7.486 1.00 0.00 N ATOM 438 CA ASP A 54 4.475 5.208 -6.938 1.00 0.00 C ATOM 439 C ASP A 54 4.398 5.514 -5.396 1.00 0.00 C ATOM 440 O ASP A 54 3.639 6.392 -4.972 1.00 0.00 O ATOM 441 CB ASP A 54 3.810 3.832 -7.246 1.00 0.00 C ATOM 442 CG ASP A 54 3.703 3.459 -8.723 1.00 0.00 C ATOM 443 OD1 ASP A 54 2.805 4.236 -9.389 1.00 0.00 O ATOM 444 OD2 ASP A 54 4.354 2.554 -9.241 1.00 0.00 O ATOM 0 H ASP A 54 6.190 4.351 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 54 3.929 6.007 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.377 3.054 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.808 3.830 -6.817 1.00 0.00 H new ATOM 445 N CYS A 55 5.204 4.804 -4.577 1.00 0.00 N ATOM 446 CA CYS A 55 5.321 5.100 -3.122 1.00 0.00 C ATOM 447 C CYS A 55 5.938 6.495 -2.777 1.00 0.00 C ATOM 448 O CYS A 55 5.402 7.190 -1.914 1.00 0.00 O ATOM 449 CB CYS A 55 6.129 3.947 -2.510 1.00 0.00 C ATOM 450 SG CYS A 55 6.388 4.188 -0.744 1.00 0.00 S ATOM 0 H CYS A 55 5.783 4.025 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 55 4.320 5.169 -2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.606 3.006 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.093 3.869 -3.013 1.00 0.00 H new ATOM 451 N PHE A 56 7.028 6.932 -3.445 1.00 0.00 N ATOM 452 CA PHE A 56 7.579 8.305 -3.238 1.00 0.00 C ATOM 453 C PHE A 56 6.566 9.461 -3.590 1.00 0.00 C ATOM 454 O PHE A 56 6.439 10.413 -2.817 1.00 0.00 O ATOM 455 CB PHE A 56 8.930 8.417 -4.005 1.00 0.00 C ATOM 456 CG PHE A 56 9.845 9.549 -3.501 1.00 0.00 C ATOM 457 CD1 PHE A 56 9.618 10.876 -3.882 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.922 9.251 -2.658 1.00 0.00 C ATOM 459 CE1 PHE A 56 10.456 11.890 -3.426 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.766 10.266 -2.212 1.00 0.00 C ATOM 461 CZ PHE A 56 11.532 11.584 -2.596 1.00 0.00 C ATOM 0 H PHE A 56 7.542 6.370 -4.123 1.00 0.00 H new ATOM 0 HA PHE A 56 7.759 8.447 -2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.462 7.469 -3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.723 8.575 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.789 11.115 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.099 8.231 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.272 12.914 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.601 10.031 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.186 12.370 -2.250 1.00 0.00 H new ATOM 462 N ASN A 57 5.819 9.367 -4.710 1.00 0.00 N ATOM 463 CA ASN A 57 4.732 10.351 -5.020 1.00 0.00 C ATOM 464 C ASN A 57 3.583 10.403 -3.949 1.00 0.00 C ATOM 465 O ASN A 57 3.229 11.490 -3.487 1.00 0.00 O ATOM 466 CB ASN A 57 4.144 10.058 -6.434 1.00 0.00 C ATOM 467 CG ASN A 57 5.068 10.382 -7.618 1.00 0.00 C ATOM 468 OD1 ASN A 57 6.264 10.630 -7.488 1.00 0.00 O ATOM 469 ND2 ASN A 57 4.528 10.381 -8.812 1.00 0.00 N ATOM 0 H ASN A 57 5.937 8.636 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 57 5.197 11.337 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.875 9.003 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.222 10.628 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.101 10.586 -9.631 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.535 10.175 -8.922 1.00 0.00 H new ATOM 470 N ALA A 58 3.000 9.247 -3.567 1.00 0.00 N ATOM 471 CA ALA A 58 1.856 9.228 -2.614 1.00 0.00 C ATOM 472 C ALA A 58 2.249 9.264 -1.094 1.00 0.00 C ATOM 473 O ALA A 58 1.657 10.041 -0.338 1.00 0.00 O ATOM 474 CB ALA A 58 1.002 8.006 -2.982 1.00 0.00 C ATOM 0 H ALA A 58 3.292 8.326 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 58 1.292 10.155 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.146 7.945 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.651 8.103 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.602 7.101 -2.888 1.00 0.00 H new ATOM 475 N CYS A 59 3.212 8.433 -0.638 1.00 0.00 N ATOM 476 CA CYS A 59 3.677 8.451 0.783 1.00 0.00 C ATOM 477 C CYS A 59 4.712 9.578 1.144 1.00 0.00 C ATOM 478 O CYS A 59 4.712 10.038 2.290 1.00 0.00 O ATOM 479 CB CYS A 59 4.261 7.065 1.129 1.00 0.00 C ATOM 480 SG CYS A 59 3.101 5.746 0.726 1.00 0.00 S ATOM 0 H CYS A 59 3.685 7.743 -1.222 1.00 0.00 H new ATOM 0 HA CYS A 59 2.798 8.685 1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.192 6.913 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.505 7.026 2.191 1.00 0.00 H new ATOM 481 N ILE A 60 5.595 10.006 0.207 1.00 0.00 N ATOM 482 CA ILE A 60 6.542 11.143 0.468 1.00 0.00 C ATOM 483 C ILE A 60 5.950 12.454 -0.131 1.00 0.00 C ATOM 484 O ILE A 60 5.628 13.411 0.572 1.00 0.00 O ATOM 485 CB ILE A 60 8.019 10.836 0.000 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.610 9.495 0.539 1.00 0.00 C ATOM 487 CG2 ILE A 60 8.995 11.997 0.335 1.00 0.00 C ATOM 488 CD1 ILE A 60 8.576 9.332 2.068 1.00 0.00 C ATOM 489 OXT ILE A 60 5.833 12.436 -1.502 1.00 0.00 O ATOM 0 H ILE A 60 5.679 9.596 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 60 6.637 11.281 1.545 1.00 0.00 H new ATOM 0 HB ILE A 60 7.929 10.731 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.061 8.668 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.644 9.411 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.998 11.739 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.664 12.907 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.009 12.161 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.008 8.369 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.151 10.133 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.544 9.378 2.416 1.00 0.00 H new